1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

C13H22N2O2 — CID 107179971

IUPAC1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(C2CCCC2(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-4-6-10(16)11-14-12(17-15-11)9-7-5-8-13(9,2)3/h9-10,16H,4-8H2,1-3H3
InChIKeyDRCZXUGDHOSYTE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.20
Rot. Bonds4

About 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 107179971) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID107179971
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(C2CCCC2(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-4-6-10(16)11-14-12(17-15-11)9-7-5-8-13(9,2)3/h9-10,16H,4-8H2,1-3H3
InChIKeyDRCZXUGDHOSYTE-UHFFFAOYSA-N
XLogP3.20
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704309
5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 107182956
1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 107182906
5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 107182962
1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096510
3-(1-chlorobutyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002023
2-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107182911
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
1-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096109
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 139002646
ethyl 5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazole-3-carboxylate
CID 107183018

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 107179971) is 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(C2CCCC2(C)C)n1.
What is the InChIKey of 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is DRCZXUGDHOSYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-6-10(16)11-14-12(17-15-11)9-7-5-8-13(9,2)3/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 107179971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).